CID 55299032

3-(hydroxymethyl)piperidin-3-ol hydrochloride

Structural Information

Molecular Formula
C6H13NO2
SMILES
C1CC(CNC1)(CO)O
InChI
InChI=1S/C6H13NO2/c8-5-6(9)2-1-3-7-4-6/h7-9H,1-5H2
InChIKey
RNGTVNNILWIEBH-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)piperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

131.09464 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 129.3
[M+Na]+ 154.083858 134.5
[M-H]- 130.087364 126.9
[M+NH4]+ 149.128463 149.5
[M+K]+ 170.057798 132.4
[M+H-H2O]+ 114.091900 124.6
[M+HCOO]- 176.092841 145.1
[M+CH3COO]- 190.108491 161.8
[M+Na-2H]- 152.069306 135.6
[M]+ 131.09409142 121.9
[M]- 131.09518858 121.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe